SCHEMBL2315038

SCHEMBL2315038

Nc1nc(-c2ccc(F)cc2)c(C(=O)c2ccc(F)cc2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
MYC P01106 1/20 0.47
WDR5 P61964 1/20 0.47
MAPT P10636 2/20 0.46
CDK5 Q00535 3/20 0.46
CDK5R1 Q15078 3/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
FBP1 P09467 1/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 1/20 0.45
DUSP3 P51452 1/20 0.45
DRD4 P21917 1/20 0.44
HTR2A P28223 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RORB Q92753 5/20 0.44
ESR1 P03372 1/20 0.43
RORC P51449 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3185793 0.92 DRD4 (0.47) CCNA2CDK2MYCWDR5MAPT
SCHEMBL257438 0.85 ADORA3 (0.54) MYCWDR5MAPTKMT2AMEN1
SCHEMBL11285727 0.84 ALDH1A1 (0.49) MYCWDR5MAPTFBP1ALDH1A1
SCHEMBL257436 0.83 RORB (0.66) MAPTKMT2AMEN1RORBRORC
SCHEMBL165773 0.81 ADORA3 (0.61) MAPTALDH1A1HSD17B10RORBKDM4E
SCHEMBL14264449 0.80 FBP1 (0.47) CCNA2CDK2MAPTCDK5CDK5R1
SCHEMBL13536655 0.79 HPGD (0.49) CCNA2CDK2MAPTCDK5CDK5R1
SCHEMBL178218 0.78 ADORA3 (0.60) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL257616 0.78 ADORA3 (0.64) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL178204 0.78 CDK5 (0.58) CCNA2CDK2CDK5CDK5R1RORB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2559455-A1 Heteroaryl derivatives as DGAT1 inhibitors Novartis AG (CH) 2013-02-20 EP disclosed
EP-2548618-A2 Organic compounds Novartis AG (CH) 2013-01-23 EP disclosed
EP-2380631-A1 Heteroaryl derivatives as DGAT1 inhibitors Novartis AG (CH) 2011-10-26 EP disclosed
EP-2349484-A2 HETEROARYL DERIVATIVES AS DGAT1 INHIBITORS Novartis AG (CH) 2011-08-03 EP disclosed
CN-102119047-A Heteroaryl derivatives as DGAT1 inhibitors NOVARTIS AG 2011-07-06 CN disclosed
US-20100022513-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-01-28 US disclosed
US-20100022513-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-01-28 US disclosed
WO-2010007046-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-01-21 WO disclosed
WO-2010007046-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-01-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100022513-A1 ORGANIC COMPOUNDS DGAT1, DGAT2, SOAT1 CCNA2 2404/4885CDK2 2340/4885MYC 925/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.